4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine

C14H12ClIN2 — CID 66292684

IUPAC4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
SMILESCc1ccccc1-c1nc(Cl)c(I)c(C2CC2)n1
InChIInChI=1S/C14H12ClIN2/c1-8-4-2-3-5-10(8)14-17-12(9-6-7-9)11(16)13(15)18-14/h2-5,9H,6-7H2,1H3
InChIKeyKRGHLFZMWVSYTL-UHFFFAOYSA-N
MW370.62 g/mol
LogP4.59
Rot. Bonds2

About 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine

4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine (PubChem CID 66292684) has the molecular formula C14H12ClIN2 and a molecular weight of 370.62 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
PubChem CID66292684
Molecular FormulaC14H12ClIN2
Molecular Weight370.62 g/mol
Exact Mass369.97
IUPAC Name4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
SMILESCc1ccccc1-c1nc(Cl)c(I)c(C2CC2)n1
InChIInChI=1S/C14H12ClIN2/c1-8-4-2-3-5-10(8)14-17-12(9-6-7-9)11(16)13(15)18-14/h2-5,9H,6-7H2,1H3
InChIKeyKRGHLFZMWVSYTL-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.62
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine (CID 66292684) is 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine is Cc1ccccc1-c1nc(Cl)c(I)c(C2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine?
The InChIKey is KRGHLFZMWVSYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2/c1-8-4-2-3-5-10(8)14-17-12(9-6-7-9)11(16)13(15)18-14/h2-5,9H,6-7H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine?
4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine has a molecular weight of 370.62 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine is sourced from PubChem (CID 66292684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).